SCHEMBL1991847

SCHEMBL1991847

CC(CNC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
CYP3A4 P08684 4/20 0.40
CYP3A5 P20815 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 5/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 3/20 0.38
TP53 P04637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1988741 0.90 CYP3A4 (0.43) SMN1; SMN2CYP3A4CYP3A5NPSR1HTT
SCHEMBL1995652 0.89 SCN9A (0.35) SMN1; SMN2CYP3A4CYP3A5NPSR1HTT
SCHEMBL1993594 0.87 NAMPT (0.44) SMN1; SMN2NPSR1HTTLMNATSHR
SCHEMBL1992284 0.87 CYP11B2 (0.45) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL1990367 0.84 TP53 (0.36) SMN1; SMN2NPSR1HTTTP53KMT2A
SCHEMBL1989372 0.83 CYP19A1 (0.38) TP53
SCHEMBL1992887 0.83 CYP3A4 (0.40) SMN1; SMN2CYP3A4MEN1KMT2AGAA
SCHEMBL1989364 0.82 KMT2A (0.42) SMN1; SMN2CYP3A4LMNATSHRALDH1A1
SCHEMBL1989763 0.82 CYP3A4 (0.38) CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL1551683 0.81 CYP3A4 (0.42) SMN1; SMN2CYP3A4CYP3A5NPSR1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US claimed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S SMN1; SMN2 2797/4885CYP3A4 846/4885CYP3A5 517/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.